SCHEMBL4047409

SCHEMBL4047409

O=c1[nH]c(=O)c2c([nH]1)=NCN=2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.34
XDH P47989 1/20 0.32
GDA Q9Y2T3 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4751577 0.65 ATAD2 (0.33) RPS6KA3GDAALDH1A1MAPT
SCHEMBL28816416 0.62 GDA (0.30) GDA
SCHEMBL29572751 0.55 IDH1 (0.30)
SCHEMBL31214551 0.54 MAPT (0.62) RPS6KA3GDAALDH1A1MAPT
SCHEMBL8259690 0.53 ALDH1A1 (0.38) GDAALDH1A1MAPT
SCHEMBL9008314 0.53 GDA (0.71) GDAALDH1A1MAPT
SCHEMBL20706 0.53
SCHEMBL9062085 0.53 IDH1 (0.44) GDAALDH1A1MAPT
SCHEMBL30107638 0.53
SCHEMBL31490467 0.52 TYMP (0.56) GDA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108904505-A 6,8- of one kind xanthine class compound is preparing the application in anti-hepatic-B virus medicine 中山大学 2018-11-30 CN claimed
CN-108904505-A 6,8- of one kind xanthine class compound is preparing the application in anti-hepatic-B virus medicine 中山大学 2018-11-30 CN disclosed
CN-103340921-A Traditional Chinese medicine for treating insufficiency of both the spleen and the kidney and preparation method thereof WUHAN JIANHENG PHARMACEUTICAL CO LTD 2013-10-09 CN disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
CN-1919859-A Synthesis of 2'-deoxy-l-nucleosides PHARMASSET LTD (US) 2007-02-28 CN disclosed
CN-1919858-A Synthesis of 2'-deoxy-l-nucleosides PHARMASSET LTD (US) 2007-02-28 CN disclosed
CN-1919860-A Synthesis of 2'-deoxy-l-nucleosides PHARMASSET LTD (US) 2007-02-28 CN disclosed
CN-1216614-C Pharmaceutical composition for delaying chronic renal failure XUANW HOSPITAL CAPITAL MEDICAL (CN) 2005-08-31 CN disclosed
CN-1423654-A Synthesis of 2' -deoxy-L-nucleosides PHARMASSET LTD (US) 2003-06-11 CN disclosed
CN-1363375-A Pharmaceutical composition for delaying chronic renal failure XUANW HOSPITAL CAPITAL MEDICAL (CN) 2002-08-14 CN disclosed
WO-1999042093-A3 ANTAGONISTS OF A2B HUMAN ADENOSINE RECEPTORS UNIV VIRGINIA (US) 1999-10-28 WO disclosed
CN-1045778-C Novel chemical compounds having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 1999-10-20 CN disclosed
WO-1999042093-A2 ANTAGONISTS OF A2B HUMAN ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA (US) 1999-08-26 WO disclosed
CN-1125445-A Novel compounds having P.DE-IV inhibitory activity EURO CELTIQUE SA (LU) 1996-06-26 CN disclosed